Download or read book The Art of Molecular Dynamics Simulation written by D. C. Rapaport and published by Cambridge University Press. This book was released on 2004-04 with total page 568 pages. Available in PDF, EPUB and Kindle. Book excerpt: First time paperback of successful physics monograph. Copyright © Libri GmbH. All rights reserved.
Download or read book Complex Plasmas written by Michael Bonitz and published by Springer Science & Business Media. This book was released on 2014-04-09 with total page 495 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides the reader with an introduction to the physics of complex plasmas, a discussion of the specific scientific and technical challenges they present and an overview of their potential technological applications. Complex plasmas differ from conventional high-temperature plasmas in several ways: they may contain additional species, including nano meter- to micrometer-sized particles, negative ions, molecules and radicals and they may exhibit strong correlations or quantum effects. This book introduces the classical and quantum mechanical approaches used to describe and simulate complex plasmas. It also covers some key experimental techniques used in the analysis of these plasmas, including calorimetric probe methods, IR absorption techniques and X-ray absorption spectroscopy. The final part of the book reviews the emerging applications of microcavity and microchannel plasmas, the synthesis and assembly of nanomaterials through plasma electrochemistry, the large-scale generation of ozone using microplasmas and novel applications of atmospheric-pressure non-thermal plasmas in dentistry. Going beyond the scope of traditional plasma texts, the presentation is very well suited for senior undergraduate, graduate students and postdoctoral researchers specializing in plasma physics.
Download or read book Diffusion in Crystalline Solids written by G E Murch and published by Academic Press. This book was released on 2012-12-02 with total page 503 pages. Available in PDF, EPUB and Kindle. Book excerpt: Diffusion in Crystalline Solids addresses some of the most active areas of research on diffusion in crystalline solids. Topics covered include measurement of tracer diffusion coefficients in solids, diffusion in silicon and germanium, atom transport in oxides of the fluorite structure, tracer diffusion in concentrated alloys, diffusion in dislocations, grain boundary diffusion mechanisms in metals, and the use of the Monte Carlo Method to simulate diffusion kinetics. This book is made up of eight chapters and begins with an introduction to the measurement of diffusion coefficients with radioisotopes. The following three chapters consider diffusion in materials of substantial technological importance such as silicon and germanium. Atomic transport in oxides of the fluorite structure is described, and diffusion in concentrated alloys, including intermetallic compounds, is analyzed. The next two chapters delve into diffusion along short-circuiting paths, focusing on the effect of diffusion down dislocations on the form of the tracer concentration profile. The book also discusses the mechanisms of diffusion in grain boundaries in metals by invoking considerable work done on grain-boundary structure. The last two chapters are concerned with computer simulation, paying particular attention to machine calculations and the Monte Carlo method. The book concludes by exploring the fundamental atomic migration process and presenting some state-of-the-art calculations for defect energies and the topology of the saddle surface. Students and researchers of material science will find this book extremely useful.
Download or read book Adsorption and Diffusion written by Hellmut G. Karge and published by Springer Science & Business Media. This book was released on 2008-06-17 with total page 411 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Molecular Sieves - Science and Technology" covers, in a comprehensive manner, the science and technology of zeolites and all related microporous and mesoporous materials. The contributions are grouped together topically in such a way that each volume deals with a specific sub-field. Volume 7 treats fundamentals and analyses of adsorption and diffusion in zeolites including single-file diffusion. Various methods of measuring adsorption and diffusion are described and discussed.
Download or read book Liquid Crystal Sensors written by Albert Schenning and published by CRC Press. This book was released on 2017-09-01 with total page 164 pages. Available in PDF, EPUB and Kindle. Book excerpt: Liquid Crystal Sensors discusses novel applications of liquid crystals that lie beyond electrically driven optical switches and displays. The main focus is on recent progress in the area of sensors based on low molar mass and polymer liquid crystals. This area of research became "hot" in recent years since the possibilities for applications of liquid crystal sensors are growing in many areas, ranging from the detection of mechanical displacements to the detection of environmental pollutants and chemical agents. This book is well-suited for students, as well as scientists from different backgrounds. For students and researchers new to the field, it gives a thorough introduction. For experienced researchers it shows the latest breakthroughs and serves as an inspiration for solving problems or sparking new ideas. Key Features: Emphasizes how liquid crystals are extremely sensitive to external stimuli and therefore can be used for the construction of stimuli-responsive devices, such as sensors Includes the contributions of editors who are deeply involved in the field and author chapters on hot topics such as the sensitivity of liquid crystals to pollutants, UV light, and strain Provides an exclusive on LC sensors where having the data in one place will be very useful to the community Gives more information on sensors and broadens the scope by having a contributed volume rather than authored Combines recent data on advances in the area of liquid crystal sensors that includes many types of liquid crystal materials
Download or read book Ab Initio Molecular Dynamics written by Dominik Marx and published by Cambridge University Press. This book was released on 2009-04-30 with total page 503 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides the first coherent presentation of this rapidly growing field, covering a vast range of methods and their applications, from basic theory to advanced methods. This fascinating text for graduate students and researchers contains systematic derivations of various ab initio molecular dynamics techniques to enable readers to understand and assess the merits and drawbacks of commonly used methods. It also discusses the special features of the widely used Car–Parrinello approach, correcting various misconceptions currently found in research literature. The book contains pseudo-code and program layout for typical plane wave electronic structure codes, allowing newcomers to the field to understand commonly used program packages and enabling developers to improve and add new features in their code.
Download or read book Handbook of Stochastic Methods written by Crispin W. Gardiner and published by Springer Verlag. This book was released on 1985-01-01 with total page 442 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Diffusion in Nanoporous Materials 2 Volumes written by Jörg Kärger and published by John Wiley & Sons. This book was released on 2012-10-29 with total page 932 pages. Available in PDF, EPUB and Kindle. Book excerpt: Atoms and molecules in all states of matter are subject to continuous irregular movement. This process, referred to as diffusion, is among the most general and basic phenomena in nature and determines the performance of many technological processes. This book provides an introduction to the fascinating world of diffusion in microporous solids. Jointly written by three well-known researchers in this field, it presents a coherent treatise, rather than a compilation of separate review articles, covering the theoretical fundamentals, molecular modeling, experimental observation and technical applications. Based on the book Diffusion in Zeolites and other Microporous Solids, originally published in 1992, it illustrates the remarkable speed with which this field has developed since that time. Specific topics include: new families of nanoporous materials, micro-imaging and single-particle tracking, direct monitoring of transient profiles by interference microscopy, single-file diffusion and new approaches to molecular modeling.
Download or read book Understanding Molecular Simulation written by Daan Frenkel and published by Elsevier. This book was released on 2001-10-19 with total page 661 pages. Available in PDF, EPUB and Kindle. Book excerpt: Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text. Since the first edition only five years ago, the simulation world has changed significantly -- current techniques have matured and new ones have appeared. This new edition deals with these new developments; in particular, there are sections on: - Transition path sampling and diffusive barrier crossing to simulaterare events - Dissipative particle dynamic as a course-grained simulation technique - Novel schemes to compute the long-ranged forces - Hamiltonian and non-Hamiltonian dynamics in the context constant-temperature and constant-pressure molecular dynamics simulations - Multiple-time step algorithms as an alternative for constraints - Defects in solids - The pruned-enriched Rosenbluth sampling, recoil-growth, and concerted rotations for complex molecules - Parallel tempering for glassy Hamiltonians Examples are included that highlight current applications and the codes of case studies are available on the World Wide Web. Several new examples have been added since the first edition to illustrate recent applications. Questions are included in this new edition. No prior knowledge of computer simulation is assumed.
Download or read book Emerging Developments and Applications of Low Temperature Plasma written by Shahzad, Aamir and published by IGI Global. This book was released on 2021-12-17 with total page 239 pages. Available in PDF, EPUB and Kindle. Book excerpt: Low temperature plasma in medicine is a new field that rose from the research in the application of cold plasmas in bioengineering. Plasma medicine is an innovative and promising multidisciplinary novel field of research covering plasma physics, life sciences, and clinical medicine to apply physical plasma for therapeutic applications. Emerging Developments and Applications of Low Temperature Plasma explores all areas of experimental, computational, and theoretical study of low temperature and atmospheric plasmas and provides a collection of exciting new research on the fundamental aspects of low temperature and pressure plasmas and their applications. Covering topics such as carbon nanotubes, foodborne pathogens, and plasma formation, this book is an essential resource for research groups, plasma-based industries, plasma aerodynamics industries, metal and cutlery industries, medical institutions, researchers, and academicians.
Download or read book Multicomponent Diffusion written by E. L. Cussler and published by Elsevier. This book was released on 2013-10-22 with total page 187 pages. Available in PDF, EPUB and Kindle. Book excerpt: Multicomponent Diffusion discusses the multicomponent diffusion of the three phases of matter. The book is comprised of nine chapters that cover studies of multicomponent diffusion and mass transfer with an emphasis on the chemical characteristics responsible for multicomponent diffusion. Chapter 1 provides an introductory discourse about multicomponent diffusion. Chapter 2 discusses binary diffusion, while Chapter 3 covers multicomponent flux equation. The measurement of ternary diffusion and the estimation of ternary diffusion coefficients are also explained in the book. A chapter then covers the interacting systems, and the subsequent chapter talks about membranes without mobile carriers. The text also discusses carrier-containing membranes and the multicomponent mass transfer. The book will be of great use to researchers and professionals whose work requires a good understanding of multicomponent diffusion.
Download or read book Synthetic Membranes and Membrane Separation Processes written by Takeshi Matsuura and published by CRC Press. This book was released on 1993-12-17 with total page 482 pages. Available in PDF, EPUB and Kindle. Book excerpt: Synthetic Membranes and Membrane Separation Processes addresses both fundamental and practical aspects of the subject. Topics discussed in the book cover major industrial membrane separation processes, including reverse osmosis, ultrafiltration, microfiltration, membrane gas and vapor separation, and pervaporation. Membrane materials, membrane preparation, membrane structure, membrane transport, membrane module and separation design, and applications are discussed for each separation process. Many problem-solving examples are included to help readers understand the fundamental concepts of the theory behind the processes. The book will benefit practitioners and students in chemical engineering, environmental engineering, and materials science.
Download or read book Molecular Dynamics Simulation written by J. M. Haile and published by Wiley-Interscience. This book was released on 1997-03-14 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Provides a lot of reading pleasure and many new insights." -Journal of Molecular Structure "This is the most entertaining, stimulating and useful book which can be thoroughly recommended to anyone with an interest in computer simulation." -Contemporary Physics "A very useful introduction . . . more interesting to read than the often dry equation-based texts." -Journal of the American Chemical Society Written especially for the novice, Molecular Dynamics Simulation demonstrates how molecular dynamics simulations work and how to perform them, focusing on how to devise a model for specific molecules and then how to simulate their movements using a computer. This book provides a collection of methods that until now have been scattered through the literature of the last 25 years. It reviews elements of sampling theory and discusses how modern notions of chaos and nonlinear dynamics explain the workings of molecular dynamics. Stresses easy-to-use molecules * Provides sample calculations and figures * Includes four complete FORTRAN codes
Download or read book Stochastic Modelling of Reaction Diffusion Processes written by Radek Erban and published by Cambridge University Press. This book was released on 2020-01-30 with total page 322 pages. Available in PDF, EPUB and Kindle. Book excerpt: This practical introduction to stochastic reaction-diffusion modelling is based on courses taught at the University of Oxford. The authors discuss the essence of mathematical methods which appear (under different names) in a number of interdisciplinary scientific fields bridging mathematics and computations with biology and chemistry. The book can be used both for self-study and as a supporting text for advanced undergraduate or beginning graduate-level courses in applied mathematics. New mathematical approaches are explained using simple examples of biological models, which range in size from simulations of small biomolecules to groups of animals. The book starts with stochastic modelling of chemical reactions, introducing stochastic simulation algorithms and mathematical methods for analysis of stochastic models. Different stochastic spatio-temporal models are then studied, including models of diffusion and stochastic reaction-diffusion modelling. The methods covered include molecular dynamics, Brownian dynamics, velocity jump processes and compartment-based (lattice-based) models.
Download or read book Molecular Hydrodynamics written by Jean Pierre Boon and published by Courier Corporation. This book was released on 1991-01-01 with total page 452 pages. Available in PDF, EPUB and Kindle. Book excerpt: A graduate level introduction to the theory and applications of time correlation functions and the molecular theory of fluid dynamics. "Quite well organized . . . the literature coverage is impressive." — Physics Today. 110 illustrations.
Download or read book Nonequilibrium Molecular Dynamics written by Billy D. Todd and published by Cambridge University Press. This book was released on 2017-03-10 with total page 371 pages. Available in PDF, EPUB and Kindle. Book excerpt: This coherent collection of theory, algorithms, and illustrative results presents the field of nonequilibrium molecular dynamics in detail.
Download or read book Phenomenology of Polymer Solution Dynamics written by George D. J. Phillies and published by Cambridge University Press. This book was released on 2011-10-06 with total page 527 pages. Available in PDF, EPUB and Kindle. Book excerpt: Presenting a completely new approach to examining how polymers move in non-dilute solution, this book focuses on experimental facts, not theoretical speculations, and concentrates on polymer solutions, not dilute solutions or polymer melts. From centrifugation and solvent dynamics to viscosity and diffusion, experimental measurements and their quantitative representations are the core of the discussion. The book reveals several experiments never before recognized as revealing polymer solution properties. A novel approach to relaxation phenomena accurately describes viscoelasticity and dielectric relaxation and how they depend on polymer size and concentration. Ideal for graduate students and researchers interested in the properties of polymer solutions, the book covers real measurements on practical systems, including the very latest results. Every significant experimental method is presented in considerable detail, giving unprecedented coverage of polymers in solution.
